3-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoic acid Openeye Name: 3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid CAS Name: 3-[[oxo-(1-phenyl-4-triazolyl)methyl]amino]butanoic acid IUPAC Name: 3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid Traditional Name: 3-[(1-phenyltriazole-4-carbonyl)amino]butyric acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CN(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CN(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H14N4O3/c1-9(7-12(18)19)14-13(20)11-8-17(16-15-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,20)(H,18,19)